Vitas-M small molecule compound
methyl 2-{[4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrophenyl]carbonyl}benzoate
Catalog ID
STK780623
SMILES COC(=O)c1ccccc1C(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1nc2c([nH]1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H15N3O5S MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O5S/c1-30-21(27)15-7-3-2-6-14(15)20(26)13-10-11-19(18(12-13)25(28)29)31-22-23-16-8-4-5-9-17(16)24-22/h2-12H,1H3,(H,23,24)InChIKey
UFKNQZUXCDFZMF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4N3)(N+)(=O)(O)
COC(=O)c1ccccc1C(=O)c1ccc(c(c1)(N+)(=O)(O))Sc1nc2c((nH)1)cccc2
InChI=1SC22H15N3O5Sc13021(27)15732614(15)20(26)13101119(18(1213)25(28)29)31222316845917(16)2422h212H1H3(H2324)
methyl2((4(1Hbenzimidazol2ylsulfanyl)3nitrophenyl)carbonyl)benzoate
METHYL2(4(1HBENZIMIDAZOL2YLSULFANYL)3NITROBENZOYL)BENZOATE
MFCD06013417
ZINC000001431854
ZINC01431854
ZINC1431854
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